Harpin
AlkaPlorer ID: AK325683
Synonym: None
IUPAC Name: 2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[1-[[2-[[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide
Structure
SMILES: CSCCC(N)C(O)=NC(CO)C(O)=NC(CC(C)C)C(O)=NC(CC(=N)O)C(O)=NC(C(O)=NC(CO)C(O)=NCC(O)=NC(CC(C)C)C(O)=NCC(O)=NC(C)C(=N)O)C(C)O
InChI: InChI=1S/C38H68N12O14S/c1-17(2)10-22(33(59)42-13-28(55)44-19(5)31(41)57)45-29(56)14-43-34(60)25(15-51)49-38(64)30(20(6)53)50-36(62)24(12-27(40)54)47-35(61)23(11-18(3)4)46-37(63)26(16-52)48-32(58)21(39)8-9-65-7/h17-26,30,51-53H,8-16,39H2,1-7H3,(H2,40,54)(H2,41,57)(H,42,59)(H,43,60)(H,44,55)(H,45,56)(H,46,63)(H,47,61)(H,48,58)(H,49,64)(H,50,62)
InChIKey: RRJUKBQQCRGQRI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erwinia amylovora | Erwinia | Erwiniaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 949.099
TPSA？: 468.1800000000001
MolLogP？: 2.193640000000012
Number of H-Donors: 17
Number of H-Acceptors: 16
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|